| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:58:18 UTC |
|---|
| Update Date | 2025-03-21 20:09:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00338977 |
|---|
| Frequency | 5.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H5NO3 |
|---|
| Molecular Mass | 115.0269 |
|---|
| SMILES | CC(O)(C#N)C(=O)O |
|---|
| InChI Key | IIPNMQBTNOZGQE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | alpha hydroxy acids and derivatives |
|---|
| Direct Parent | alpha hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxynitrilescarbonyl compoundscarboxylic acidscyanohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidalpha-hydroxy acidcyanohydrincarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydroxynitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
